Molecule

ID:21657

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄N₂O₂
Molecular Mass
242.27316
Exact Mass
242.1055277
Charge
0
InChI
InChI=1S/C14H14N2O2/c15-16-14(17)10-18-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10,15H2,(H,16,17)
InChIKey
IPSUINOGBWHSJI-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)COc1ccc(cc1)c1ccccc1
Isomeric Smiles
C(=O)(NN)COc1ccc(c2ccccc2)cc1
Calculated Properties
JChem
Acid pKa
12.347968
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.8359468
LogD (pH = 7.4)
1.8373426
Log P
1.8373649
Molar Refractivity
70.0483
Polarizability
28.290049
Polar Surface Area
64.35
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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